1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine

C12H18N6O — CID 139434694

IUPAC1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(C)(N)CC2)nc2[nH]ncc12
InChIInChI=1S/C12H18N6O/c1-12(13)3-5-18(6-4-12)11-15-9-8(7-14-17-9)10(16-11)19-2/h7H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyYPKSQHQCUJQRNC-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.68
Rot. Bonds2

About 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine

1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine (PubChem CID 139434694) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine
PubChem CID139434694
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(C)(N)CC2)nc2[nH]ncc12
InChIInChI=1S/C12H18N6O/c1-12(13)3-5-18(6-4-12)11-15-9-8(7-14-17-9)10(16-11)19-2/h7H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyYPKSQHQCUJQRNC-UHFFFAOYSA-N
XLogP0.68
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine?
The IUPAC name of 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine (CID 139434694) is 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine is COc1nc(N2CCC(C)(N)CC2)nc2[nH]ncc12.
What is the InChIKey of 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine?
The InChIKey is YPKSQHQCUJQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(13)3-5-18(6-4-12)11-15-9-8(7-14-17-9)10(16-11)19-2/h7H,3-6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine?
1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine is sourced from PubChem (CID 139434694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).